SCHEMBL25047641

SCHEMBL25047641

C/C=C(\C)CCN(CCCN(C[C@@H]1CC[C@H](n2cc(B3OC(C)(C)C(C)(C)O3)c3c(N)ncnc32)C1)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 20/20 0.34
▸ EGFR P00533 2/20 0.34
▸ ABL1 P00519 1/20 0.32
▸ ABL2 P42684 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25047974 0.88 SRC (0.37) SRCEGFRABL1ABL2
SCHEMBL25048534 0.87 SRC (0.37) SRCEGFRABL1ABL2
SCHEMBL25046665 0.87 SRC (0.37) SRCEGFRABL1ABL2
SCHEMBL25048857 0.84 SRC (0.36) SRCEGFR
SCHEMBL25047949 0.83 SRC (0.38) SRCEGFRABL1ABL2
SCHEMBL25048524 0.82 ADK (0.40) SRCEGFRABL1ABL2
SCHEMBL25047533 0.82 PRMT5 (0.44) —
SCHEMBL25046675 0.82 SRC (0.39) SRCEGFRABL1ABL2
SCHEMBL25048503 0.82 SRC (0.38) SRCEGFRABL1ABL2
SCHEMBL25047943 0.80 ADK (0.35) —

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023017152-A1 SPECIFIC SMALL MOLECULE INHIBITORS THAT BLOCK KMT9 METHYLTRANSFERASE ACTIVITY AND FUNCTION ALBERT-LUDWIGS-UNIVERSITÄT FREIBURG (DE) 2023-02-16 — — WO disclosed
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